REMARK  Name = BDB049806
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.195  -0.359   1.390  0.00  0.00    +0.067 A 
ATOM      2  C   LIG    1        2.132  -0.990   0.712  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1        2.259  -2.334   0.364  0.00  0.00    +0.070 A 
ATOM      4  N   LIG    1        1.083  -2.639  -0.272  0.00  0.00    -0.334 N 
ATOM      5  H   LIG    1        0.804  -3.534  -0.651  0.00  0.00    +0.168 HD
ATOM      6  C   LIG    1        0.294  -1.513  -0.307  0.00  0.00    +0.195 A 
ATOM      7  C   LIG    1        3.388  -3.100   0.658  0.00  0.00    +0.066 A 
ATOM      8  C   LIG    1        4.420  -2.451   1.337  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1        5.523  -3.143   1.649  0.00  0.00    -0.205 F 
ATOM     10  N   LIG    1        0.919  -0.507   0.275  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        4.341  -1.112   1.703  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -1.044  -1.519  -0.890  0.00  0.00    +0.282 C 
ATOM     13  N   LIG    1       -1.805  -0.343  -0.913  0.00  0.00    -0.295 N 
ATOM     14  C   LIG    1       -1.306   0.971  -0.490  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1       -2.201   2.115  -0.956  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -3.664   1.938  -0.528  0.00  0.00    +0.054 C 
ATOM     17  C   LIG    1       -4.063   0.463  -0.383  0.00  0.00    +0.037 C 
ATOM     18  C   LIG    1       -3.217  -0.427  -1.286  0.00  0.00    +0.109 C 
ATOM     19  O   LIG    1       -1.497  -2.572  -1.347  0.00  0.00    -0.267 OA
BRANCH  16  20
ATOM     20  N   LIG    1       -3.965   2.647   0.719  0.00  0.00    -0.327 NA
ATOM     21  H   LIG    1       -3.711   3.631   0.626  0.00  0.00    +0.118 HD
ATOM     22  H   LIG    1       -3.383   2.283   1.474  0.00  0.00    +0.118 HD
ENDBRANCH  16  20
ENDBRANCH   6  12
BRANCH   1  26
ATOM     23  N   LIG    1        4.252   1.790   1.756  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1        5.068   1.481   1.248  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        4.146   2.786   1.907  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1        3.090   1.063   1.783  0.00  0.00    +0.244 C 
ATOM     27  O   LIG    1        2.038   1.591   2.114  0.00  0.00    -0.270 OA
ENDBRANCH   1  26
TORSDOF 3